The Mesityl oxide, with the CAS registry number 141-79-7 and EINECS registry number 205-502-5, has the systhematic name of 4-methylpent-3-en-2-one. It is a is a α,β-Unsaturated ketone with the molecular formula of C₆H₁₀O. It is a kind of clear light yellow liquid, and belongs to the product category of Acetone series. What's more, it is usually used as mid-boiling point strong solvent.

The physical properties of Mesityl oxide are as followings: (1)ACD/LogP: 1.12; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.11; (4)ACD/LogD (pH 7.4): 1.11; (5)ACD/BCF (pH 5.5): 4.14; (6)ACD/BCF (pH 7.4): 4.14; (7)ACD/KOC (pH 5.5): 96.26; (8)ACD/KOC (pH 7.4): 96.26; (9)#H bond acceptors: 1; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 1; (12)Polar Surface Area: 17.07 Å²; (13)Index of Refraction: 1.418; (14)Molar Refractivity: 29.77 cm³; (15)Molar Volume: 118.1 cm³; (16)Polarizability: 11.8×10^-24cm³; (17)Surface Tension: 23.2 dyne/cm; (18)Density: 0.83 g/cm³; (19)Flash Point: 30.6 °C; (20)Enthalpy of Vaporization: 37.02 kJ/mol; (21)Boiling Point: 132.7 °C at 760 mmHg; (22)Vapour Pressure: 8.76 mmHg at 25°C.

Synthesis: It can be prepared by the aldol condensation of acetone to give diacetone alcohol, which readily dehydrates to give this compound.

Uses of Mesityl oxide: It can be used as a solvent and in the production of methyl isobutyl ketone by hydrogenation:

You should be cautious while dealing with this chemical. It is a kind of flammble chemical which is also harmful by inhalation, in contact with skin and if swallowed. Therefore, you had better avoid contact with eyes.

You can still convert the following datas into molecular structure:
(1)SMILES: O=C(\C=C(/C)C)C
(2)InChI: InChI=1/C6H10O/c1-5(2)4-6(3)7/h4H,1-3H3
(3)InChIKey: SHOJXDKTYKFBRD-UHFFFAOYAQ

The toxicity data is as follows: